[(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate

Systemtic Name: [(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate Openeye Name: [(1R)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(2-furyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2-furanyl)-2-propenoic acid [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-furyl)acrylic acid [(1R)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C(=CC2=CC=CO2)C#N

Isomeric SMILES

C[C@H](C(=O)NCC1CCCCC1)OC(=O)/C(=C/C2=CC=CO2)/C#N

InChI

InChI=1S/C18H22N2O4/c1-13(17(21)20-12-14-6-3-2-4-7-14)24-18(22)15(11-19)10-16-8-5-9-23-16/h5,8-10,13-14H,2-4,6-7,12H2,1H3,(H,20,21)/b15-10+/t13-/m1/s1